4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide

C16H18ClNO3S — CID 19680723

IUPAC4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C16H18ClNO3S/c1-11-9-16(12(2)8-14(11)17)22(19,20)18-10-13-6-4-5-7-15(13)21-3/h4-9,18H,10H2,1-3H3
InChIKeyZWOLCZXBFWTKPB-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.44
Rot. Bonds5

About 4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide

4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 19680723) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
PubChem CID19680723
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C16H18ClNO3S/c1-11-9-16(12(2)8-14(11)17)22(19,20)18-10-13-6-4-5-7-15(13)21-3/h4-9,18H,10H2,1-3H3
InChIKeyZWOLCZXBFWTKPB-UHFFFAOYSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 26948552
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 43414928
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 8819063
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110779879
5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65202045

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide (CID 19680723) is 4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1cc(C)c(Cl)cc1C.
What is the InChIKey of 4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is ZWOLCZXBFWTKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-11-9-16(12(2)8-14(11)17)22(19,20)18-10-13-6-4-5-7-15(13)21-3/h4-9,18H,10H2,1-3H3.
What are the key properties of 4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide?
4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 19680723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).